Open Access
Table 2
FTIR-ATR spectral zones for PCA data evaluation.
| Detected frequency | Functional group | PCA scores % (fresh VOOs) | PCA scores % (stored VOOs) | Mode of vibration* |
|---|---|---|---|---|
| 793–650 | –(CH2)n– –HC=CH– (cis) |
PC1: 97 PC*: 3 |
PC1: 86 PC*: 10 |
Rocking Bending (out of plane) |
| 1488–924 | –HC=CH– (cis) –C–O– –CH2– –C–H– (terminal-CH3) –C–H– (CH2) |
PC1: 98 PC*: 2 |
PC1: 89 PC*: 4 |
Bending (out of plane) Stretching Bending Asymmetric bending Scissoring |
| 1814–1637 | –C=O (free fatty acids, ester bonds from triglyceride) –C–H– (CH2) |
PC1: 77 PC*: 13 |
PC1: 66 PC2: 26 |
Stretching Asymmetric stretching |
| 2936–2357 | –C=O (anomeric structure) –C–H– (CH2) –C–H– (CH2) |
PC1: 80 PC*: 16 |
PC1: 96 PC*: 2 |
Stretching Symmetric stretching Asymmetric stretching |
| 3080–2790 | =C–H (cis fatty acid) =C–H (trans fatty acid) –OH (hydroperoxides, alcohols) |
PC1: 77 PC*: 12 |
PC1: 96 PC*: 3 |
Stretching |
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